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用可疑和非目标查方法识别在多环芳香碳化合物生物修复过程中产生的潜在有毒转化产品

Juliana M Huizenga^1,2, Lewis Semprini¹, Manuel Garcia-Jaramillo²

¹School of Chemical, Biological, and Environmental Engineering, Oregon State University, 105 SW 26th St, Corvallis, Oregon 97331, United States.

Environmental science & technology

|April 10, 2025

概括

这项研究确定了在细菌修复过程中形成的新型多环芳转化产物 (PAH-TPs). 这些研究不足的化合物,包括遗传毒性和内分泌干扰物质,构成生态和健康风险.

科学领域:

环境化学环境化学
环境微生物学环境微生物学
质谱测量质量谱测量

背景情况:

多环芳 (PAH) 是广泛存在的环境污染物.
修复PAHs可以产生具有潜在健康风险的转化产品 (PAH-TPs).
对PAH-TP的研究不足,缺乏参考标准,阻碍了监测和补救工作.

研究的目的:

用可疑和非目标查来识别通过细菌修复产生的PAH-TPs.
开发一个工作流程,用于预测和评估PAH-TPs的健康危害.
为了研究新的PAH转化途径.

主要方法:

液体色谱-高分辨率质谱 (LC-HRMS) 用于PAH-TP的识别.
嫌疑人和非目标选方法.
开源计算工具用于生物转化预测,结构阐明和毒性评估.

主要成果:

暂时确定了16种PAH-TP,其中7种以前没有通过有针对性的分析被检测到.
建议的新转化途径包括氧化,硫化和多重氧化.
计算性毒性评估揭示了PAH-TPs中的基因毒性和内分泌干扰潜力.

结论:

开发的工作流允许识别以前未知的PAH-TPs.
PAH-TPs表现出与母PAHs相似的危险特征,强调它们在风险评估中的重要性.
考虑PAH-TP对于有效的环境监测和修复策略至关重要.

关键词:

芳香的碳化合物是一种芳香的碳化合物.生物转化过程中的生物转化.危险评估危险评估危险评估高分辨率质谱测量高分辨率质谱转化产品转化产品的转化产品

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